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Murcko scaffold

Ring system with 3 rings and 16 atoms

42 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
42
With full pages
18
Scaffold SMILES

O=C1NC=CC(c2ccc3c(c2)OCO3)N1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold O=C1NC=CC(c2ccc3c(c2)OCO3)N1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 42 of 42 chemicals

5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone chemical structure, C14H14N2O4, CAS 292853-56-6
5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone
CAS 292853-56-6C14H14N2O4
2,2,3,3,3-Pentafluoropropyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate chemical structure, C16H13F5N2O5, CAS 295344-55-7
2,2,3,3,3-Pentafluoropropyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS 295344-55-7C16H13F5N2O5
Ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C15H15BrN2O5, CAS 293764-07-5
Ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 293764-07-5C15H15BrN2O5
4-(1,3-Benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester chemical structure, C15H16N2O5, CAS 161374-09-0
4-(1,3-Benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
CAS 161374-09-0C15H16N2O5
Ethyl (6R)-6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate chemical structure, C16H18N2O5, CAS 219814-79-6
Ethyl (6R)-6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CAS 219814-79-6C16H18N2O5
Methyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate chemical structure, C14H14N2O5, CAS 159587-53-8
Methyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS 159587-53-8C14H14N2O5
Propyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C16H18N2O5, CAS 347353-00-8
Propyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 347353-00-8C16H18N2O5
Propan-2-yl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate chemical structure, C16H18N2O5, CAS 292855-64-2
Propan-2-yl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS 292855-64-2C16H18N2O5
4-Benzo[1,3]dioxol-5-yl-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid butyl ester chemical structure, C17H20N2O5, CAS 300799-51-3
4-Benzo[1,3]dioxol-5-yl-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid butyl ester
CAS 300799-51-3C17H20N2O5
2-Methylpropyl 6-(1,3-benzodioxol-5-yl)-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate chemical structure, C17H20N2O5, CAS 296262-72-1
2-Methylpropyl 6-(1,3-benzodioxol-5-yl)-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate
CAS 296262-72-1C17H20N2O5
tert-Butyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate chemical structure, C17H20N2O5, CAS 356585-52-9
tert-Butyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS 356585-52-9C17H20N2O5
Pentyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C18H22N2O5, CAS 300667-76-9
Pentyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 300667-76-9C18H22N2O5
6-(1,3-Benzodioxol-5-yl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid chemical structure, C12H10N2O5, CAS 860610-20-4
6-(1,3-Benzodioxol-5-yl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
CAS 860610-20-4C12H10N2O5
Isopropyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C16H17BrN2O5, CAS 294197-69-6
Isopropyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 294197-69-6C16H17BrN2O5
2-Ethoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate chemical structure, C17H19BrN2O6, CAS 295344-07-9
2-Ethoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS 295344-07-9C17H19BrN2O6
2-Ethylsulfanylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate chemical structure, C17H19BrN2O5S, CAS 295344-45-5
2-Ethylsulfanylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS 295344-45-5C17H19BrN2O5S
2-Cyanoethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate chemical structure, C16H14BrN3O5, CAS 329048-28-4
2-Cyanoethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS 329048-28-4C16H14BrN3O5
2-Isopropoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate chemical structure, C18H21BrN2O6, CAS 347352-56-1
2-Isopropoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CAS 347352-56-1C18H21BrN2O6
2-(Methylsulfanyl)ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate chemical structure, C16H17BrN2O5S, CAS 330850-85-6
2-(Methylsulfanyl)ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CAS 330850-85-6C16H17BrN2O5S
Propyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C16H17BrN2O5, CAS 312527-18-7
Propyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 312527-18-7C16H17BrN2O5
Methyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate chemical structure, C15H15N3O7, CAS 301319-95-9
Methyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CAS 301319-95-9C15H15N3O7
2,2,2-Trifluoroethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C15H13F3N2O5, CAS 306752-95-4
2,2,2-Trifluoroethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 306752-95-4C15H13F3N2O5
2,2,2-Trichloroethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C15H13Cl3N2O5, CAS 312587-64-7
2,2,2-Trichloroethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 312587-64-7C15H13Cl3N2O5
Ethyl 4-(1,3-benzodioxol-5-yl)-2-oxo-6-propyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate chemical structure, C17H20N2O5, CAS 353780-55-9
Ethyl 4-(1,3-benzodioxol-5-yl)-2-oxo-6-propyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CAS 353780-55-9C17H20N2O5